CID 44147448

1-octadecanaminium, 18-(ethylamino)-n,n,n-tris(2-hydroxyethyl)-18-oxo-, nitrate (salt)

Structural Information

Molecular Formula
C26H55N2O4
SMILES
CCNC(=O)CCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CCO
InChI
InChI=1S/C26H54N2O4/c1-2-27-26(32)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-28(20-23-29,21-24-30)22-25-31/h29-31H,2-25H2,1H3/p+1
InChIKey
SNEHTXOFYPKKBP-UHFFFAOYSA-O
Compound name
[18-(ethylamino)-18-oxooctadecyl]-tris(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.41617 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.42345 241.4
[M+Na]+ 482.40539 245.7
[M-H]- 458.40889 233.0
[M+NH4]+ 477.44999 235.6
[M+K]+ 498.37933 240.4
[M+H-H2O]+ 442.41343 231.3
[M+HCOO]- 504.41437 248.8
[M+CH3COO]- 518.43002 231.9
[M+Na-2H]- 480.39084 225.0
[M]+ 459.41562 234.9
[M]- 459.41672 234.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.